Description

1-Bromo-3-Ethynyl-4-Fluoro-Benzene is a high-purity, multi-functional aromatic building block featuring bromine, fluorine, and an ethynyl group, making it a versatile intermediate for advanced synthesis. This compound is critical for constructing complex molecular architectures in pharmaceutical and agrochemical research, where precise functionalization is required. It is primarily sought after by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and material science industries.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Synthesis: Used in the development of novel herbicides and fungicides, leveraging the fluorine atom for enhanced biological activity and metabolic stability.
• Material Science: Serves as a monomer or cross-linking agent in the production of specialty polymers, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: The bromine atom is an excellent handle for Suzuki, Sonogashira, and other palladium-catalyzed cross-coupling reactions to form biaryl and conjugated systems.
• Click Chemistry: The terminal alkyne (ethynyl) group is ideal for Huisgen 1,3-dipolar cycloaddition (click chemistry) to rapidly generate diverse compound libraries for screening.
• Fluorine Chemistry Research: A valuable substrate for studying the effects of fluorine substitution on aromatic systems in medicinal chemistry.

Basic Information

Product Name	1-Bromo-3-Ethynyl-4-Fluoro-Benzene
CAS No.	657427-46-8
Molecular Formula	C8H4BrF
Molecular Weight	199.02 g/mol
Synonyms	3-Bromo-4-fluoroethynylbenzene; 4-Fluoro-3-bromophenylacetylene; 1-Bromo-3-ethynyl-4-fluorobenzene; 3-Bromo-4-fluorophenylacetylene; 4-Fluoro-3-bromoethynylbenzene; (3-Bromo-4-fluorophenyl)ethyne; 657427-46-8
EINECS	Contact for details

Quality Control

Our 1-Bromo-3-Ethynyl-4-Fluoro-Benzene is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring reliability for your most demanding synthesis workflows.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flames. The compound is light-sensitive (store away from light). For long-term storage, consider under an inert atmosphere such as nitrogen or argon to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Purity (GC)	≥ 97.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.